1-butoxyisoquinoline-3-carboxylic acid

Systemtic Name: 1-butoxyisoquinoline-3-carboxylic acid Openeye Name: 1-butoxyisoquinoline-3-carboxylic acid CAS Name: 1-butoxy-3-isoquinolinecarboxylic acid IUPAC Name: 1-butoxyisoquinoline-3-carboxylic acid Traditional Name: 1-butoxyisoquinoline-3-carboxylic acid Formula: C14H15NO3 MolecularWeight: 245.2738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCOC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C14H15NO3/c1-2-3-8-18-13-11-7-5-4-6-10(11)9-12(15-13)14(16)17/h4-7,9H,2-3,8H2,1H3,(H,16,17)